1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene

C17H26O — CID 91011115

IUPAC1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene
SMILESCCC(CC1(C(C)C)CC1)OCc1ccccc1
InChIInChI=1S/C17H26O/c1-4-16(12-17(10-11-17)14(2)3)18-13-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3
InChIKeyDLDWWFGYOXQNIV-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.81
Rot. Bonds7

About 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene

1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene (PubChem CID 91011115) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene.

Molecular Properties

Compound Name1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene
PubChem CID91011115
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene
SMILESCCC(CC1(C(C)C)CC1)OCc1ccccc1
InChIInChI=1S/C17H26O/c1-4-16(12-17(10-11-17)14(2)3)18-13-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3
InChIKeyDLDWWFGYOXQNIV-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

hexan-3-yloxymethylbenzene
CID 20782034
butan-2-yloxymethylbenzene;ethane
CID 161043537
2-phenylmethoxy-N-propan-2-ylbutan-1-amine
CID 62446151
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
3-phenylmethoxypentane-1-thiol
CID 21429433
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
6-phenylmethoxyoctan-3-one
CID 163975632
1-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecachloro-17-methyloctadecoxy)butan-2-yloxymethylbenzene
CID 126562757
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
[(3S)-3-iodopentan-2-yl]oxymethylbenzene
CID 161266515
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene?
The IUPAC name of 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene (CID 91011115) is 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene.
What is the SMILES notation for 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene?
The canonical SMILES for 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene is CCC(CC1(C(C)C)CC1)OCc1ccccc1.
What is the InChIKey of 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene?
The InChIKey is DLDWWFGYOXQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-16(12-17(10-11-17)14(2)3)18-13-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene?
1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene has a molecular weight of 246.39 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylcyclopropyl)butan-2-yloxymethylbenzene is sourced from PubChem (CID 91011115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).